Cas no 22058-01-1 (4-Dodecyne)

4-Dodecyne structure
4-Dodecyne structure
Product Name:4-Dodecyne
CAS No:22058-01-1
MF:C12H22
MW:166.303083896637
CID:277948
PubChem ID:140877
Update Time:2025-04-19

4-Dodecyne Chemical and Physical Properties

Names and Identifiers

    • 4-Dodecyne
    • dodec-4-yne
    • 22058-01-1
    • DTXSID90176541
    • RVIMTVIYJAEION-UHFFFAOYSA-N
    • Inchi: 1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-7,9,11-12H2,1-2H3
    • InChI Key: RVIMTVIYJAEION-UHFFFAOYSA-N
    • SMILES: C(CCC)CCCC#CCCC

Computed Properties

  • Exact Mass: 166.17226
  • Monoisotopic Mass: 166.172
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.792
  • Boiling Point: 219°Cat760mmHg
  • Flash Point: 78.3°C
  • Refractive Index: 1.442
  • PSA: 0
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